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TargetCDK2/Cyclin A/Cyclin A1
LigandBDBM50378288
Substrate/Competitorn/a
Meas. Tech.ChEMBL_589414
IC50 0.09±n/a nM
Citation Trova MPBarnes KDAlicea LBenanti TBielaska MBilotta JBliss BDuong TNHaydar SHerr RJHui YJohnson MLehman JMPeace DRainka MSnider PSalamone STregay SZheng XFriedrich TD Heterobiaryl purine derivatives as potent antiproliferative agents: inhibitors of cyclin dependent kinases. Part II. Bioorg Med Chem Lett 19:6613-7 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
CDK2/Cyclin A/Cyclin A1
Name:CDK2/Cyclin A/Cyclin A1
Synonyms:Cyclin A1/A2/dependent kinase 2 | Cyclin-dependent kinase 2/cyclin A
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of EBI is 42813
Components:This complex has 3 components.
Component 1
Name:Cyclin-A2
Synonyms:CCN1 | CCNA | CCNA1 | Cyclin A | Cyclin-A
Type:Enzyme Subunit
Mol. Mass.:48550.19
Organism:Homo sapiens (Human)
Description:n/a
Residue:432
Sequence:
MLGNSAPGPATREAGSALLALQQTALQEDQENINPEKAAPVQQPRTRAALAVLKSGNPRG
LAQQQRPKTRRVAPLKDLPVNDEHVTVPPWKANSKQPAFTIHVDEAEKEAQKKPAESQKI
EREDALAFNSAISLPGPRKPLVPLDYPMDGSFESPHTMDMSIILEDEKPVSVNEVPDYHE
DIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYID
RFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRMEHLVLK
VLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAMFLGELSLIDADPYLKYLPSVIAGAAF
HLALYTVTGQSWPESLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKNSKYHG
VSLLNPPETLNL
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Component 2
Name:Cyclin-A1/Cyclin-dependent kinase 4
Synonyms:CDK2/Cyclin A1 | Cyclin-A1
Type:Enzyme
Mol. Mass.:52343.37
Organism:Homo sapiens (Human)
Description:P78396
Residue:465
Sequence:
METGFPAIMYPGSFIGGWGEEYLSWEGPGLPDFVFQQQPVESEAMHCSNPKSGVVLATVA
RGPDACQILTRAPLGQDPPQRTVLGLLTANGQYRRTCGQGITRIRCYSGSENAFPPAGKK
ALPDCGVQEPPKQGFDIYMDELEQGDRDSCSVREGMAFEDVYEVDTGTLKSDLHFLLDFN
TVSPMLVDSSLLSQSEDISSLGTDVINVTEYAEEIYQYLREAEIRHRPKAHYMKKQPDIT
EGMRTILVDWLVEVGEEYKLRAETLYLAVNFLDRFLSCMSVLRGKLQLVGTAAMLLASKY
EEIYPPEVDEFVYITDDTYTKRQLLKMEHLLLKVLAFDLTVPTTNQFLLQYLRRQGVCVR
TENLAKYVAELSLLEADPFLKYLPSLIAAAAFCLANYTVNKHFWPETLAAFTGYSLSEIV
PCLSELHKAYLDIPHRPQQAIREKYKASKYLCVSLMEPPAVLLLQ
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Component 3
Name:Cyclin-dependent kinase 2
Synonyms:CDK2 | CDK2-Kinase | Cell division protein kinase 2 | Cyclin-dependent kinase 2 (CDK2) | p33 protein kinase
Type:Enzyme Subunit
Mol. Mass.:33938.17
Organism:Homo sapiens (Human)
Description:P24941
Residue:298
Sequence:
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNH
PNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS
HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYY
STAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF
PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
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Component 4
Name:Cyclin-A2
Synonyms:CCN1 | CCNA | CCNA1 | Cyclin A | Cyclin-A
Type:Enzyme Subunit
Mol. Mass.:48550.19
Organism:Homo sapiens (Human)
Description:n/a
Residue:432
Sequence:
MLGNSAPGPATREAGSALLALQQTALQEDQENINPEKAAPVQQPRTRAALAVLKSGNPRG
LAQQQRPKTRRVAPLKDLPVNDEHVTVPPWKANSKQPAFTIHVDEAEKEAQKKPAESQKI
EREDALAFNSAISLPGPRKPLVPLDYPMDGSFESPHTMDMSIILEDEKPVSVNEVPDYHE
DIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYID
RFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRMEHLVLK
VLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAMFLGELSLIDADPYLKYLPSVIAGAAF
HLALYTVTGQSWPESLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKNSKYHG
VSLLNPPETLNL
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BDBM50378288
n/a
NameBDBM50378288
Synonyms:CHEMBL567434
TypeSmall organic molecule
Emp. Form.C25H31N9
Mol. Mass.457.5739
SMILESCC(C)n1cnc2c(NCc3ccc(nc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(14.81,-30.86,;15.83,-29.71,;17.34,-30.01,;15.34,-28.25,;16.23,-27,;15.32,-25.76,;13.86,-26.25,;12.53,-25.49,;12.52,-23.95,;11.18,-23.19,;9.85,-23.96,;8.52,-23.2,;7.19,-23.98,;7.2,-25.52,;8.55,-26.28,;9.87,-25.5,;5.88,-26.3,;5.89,-27.83,;4.57,-28.61,;3.22,-27.85,;3.21,-26.31,;4.54,-25.53,;11.2,-26.26,;11.2,-27.8,;9.87,-28.58,;9.88,-30.12,;11.21,-30.88,;11.21,-32.43,;9.88,-33.2,;9.88,-34.74,;8.54,-32.43,;8.54,-30.89,;12.54,-28.57,;13.88,-27.78,)|
Structure
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